N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

C18H16ClNO2 — CID 2671348

IUPACN-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3cccc(Cl)c3C)coc2c1
InChIInChI=1S/C18H16ClNO2/c1-11-6-7-14-13(10-22-17(14)8-11)9-18(21)20-16-5-3-4-15(19)12(16)2/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyICYVPAZHURMHIF-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.88
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 2671348) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID2671348
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3cccc(Cl)c3C)coc2c1
InChIInChI=1S/C18H16ClNO2/c1-11-6-7-14-13(10-22-17(14)8-11)9-18(21)20-16-5-3-4-15(19)12(16)2/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyICYVPAZHURMHIF-UHFFFAOYSA-N
XLogP4.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 2671348) is N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)Nc3cccc(Cl)c3C)coc2c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is ICYVPAZHURMHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-11-6-7-14-13(10-22-17(14)8-11)9-18(21)20-16-5-3-4-15(19)12(16)2/h3-8,10H,9H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 313.78 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 2671348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).